AI Article Synopsis
- The study focuses on how dimensionality affects the behavior of infrared-active phonons and their splitting in materials, particularly highlighting a breakdown in two-dimensional systems.
- An analytical model combined with density-functional theory is used to investigate one-dimensional systems such as nanowires and nanotubes, revealing that dielectric splitting diminishes at the zone center.
- The findings establish a connection between the dielectric properties and the radius of 1D materials, paving the way for new methods of characterizing them using infrared and Raman spectroscopy.
Article Abstract
Dimensionality provides a clear fingerprint on the dispersion of infrared-active, polar-optical phonons. For these phonons, the local dipoles parametrized by the Born effective charges drive the LO-TO splitting of bulk materials; this splitting actually breaks down in two-dimensional materials. Here, we develop the theory for one-dimensional (1D) systems-nanowires, nanotubes, and atomic and polymeric chains. Combining an analytical model with the implementation of density-functional perturbation theory in 1D boundary conditions, we show that the dielectric splitting in the dispersion relations collapses as at the zone center. The dielectric properties and the radius of the 1D materials are linked by the present work to these red shifts, opening infrared and Raman characterization avenues.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11041644 | PMC |
| http://dx.doi.org/10.1038/s41524-023-01140-2 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Terahertz Resonant Emission by Optically Excited Infrared-Active Shear Phonons in KY(MoO).
Adv Sci (Weinh)
November 2024
Institute of Optical Sensor Systems, German Aerospace Center (DLR), Rutherfordstr. 2, 12489, Berlin, Germany.
The generation of monochromatic electromagnetic radiation in the terahertz (THz) frequency range has remained a challenging task for many decades. Here, the emission of monochromatic sub-THz radiation by optical phonons in the dielectric material KY(MoO) is demonstrated. The layered crystal structure of KY(MoO) causes infrared-active shear lattice vibrations to have energies below 3.
View Article and Find Full Text PDFAnisotropic Optical Response of Ti-Doped VO Single Crystals.
Materials (Basel)
June 2024
Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00185 Rome, Italy.
This study delves into the effects of titanium (Ti) doping on the optical properties of vanadium dioxide (VO), a material well known for its metal-to-insulator transition (MIT) near room temperature. By incorporating Ti into VO's crystal lattice, we aim to uncover the resultant changes in its physical properties, crucial for enhancing its application in smart devices. Utilizing polarized infrared micro-spectroscopy, we examined TiVO single crystals with varying Ti concentrations (x = 0.
View Article and Find Full Text PDFStudy on the Infrared and Raman spectra of TiAlB, ZrAlB, HfAlB, and TaAlB by first-principles calculations.
Sci Rep
July 2024
Nanyang Institute of Technology, School of Mathematics and Physics, No. 80 Changjiang Road, Nanyang, 473004, Henan, People's Republic of China.
In this paper, the crystal geometry, electronic structure, lattice vibration, Infrared and Raman spectra of ternary layered borides MAlB (M = Ti, Zr, Hf, Ta) are studied by using first principles calculation method based on the density functional theory. The electronic structure of MAlB indicates that they are all electrical conductors, and the d orbitals of Ti, Zr, Hf, and Ta occupy most of the bottom of the conduction band and most of the top of the valence band. Al and B have lower contributions near their Fermi level.
View Article and Find Full Text PDFEpsilon-near-zero regime for ultrafast opto-spintronics.
Npj Spintron
June 2024
FELIX Laboratory, Radboud University, Nijmegen, The Netherlands.
Over the last two decades, breakthrough works in the field of non-linear phononics have revealed that high-frequency lattice vibrations, when driven to high amplitude by mid- to far-infrared optical pulses, can bolster the light-matter interaction and thereby lend control over a variety of spontaneous orderings. This approach fundamentally relies on the resonant excitation of infrared-active transverse optical phonon modes, which are characterized by a maximum in the imaginary part of the medium's permittivity. Here, in this Perspective article, we discuss an alternative strategy where the light pulses are instead tailored to match the frequency at which the real part of the medium's permittivity goes to zero.
View Article and Find Full Text PDFObservation of phonon Stark effect.
Nat Commun
May 2024
Beijing National Laboratory for Condensed Matter Physics; Key Laboratory for Nanoscale Physics and Devices, Institute of Physics, Chinese Academy of Sciences, Beijing, 100190, China.
Stark effect, the electric-field analogue of magnetic Zeeman effect, is one of the celebrated phenomena in modern physics and appealing for emergent applications in electronics, optoelectronics, as well as quantum technologies. While in condensed matter it has prospered only for excitons, whether other collective excitations can display Stark effect remains elusive. Here, we report the observation of phonon Stark effect in a two-dimensional quantum system of bilayer 2H-MoS.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!